Structure of PDB 3f33 Chain A Binding Site BS01

Receptor Information
>3f33 Chain A (length=168) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHFF
RELAEEKREGAERLLKMQNQRGGRALFQDLQKPSQDEWGTTLDAMKAAIV
LEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNI
QRLVQAGLGEYLFERLTL
Ligand information
Ligand IDPFL
InChIInChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKeyOLBCVFGFOZPWHH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Oc1c(cccc1C(C)C)C(C)C
OpenEye OEToolkits 1.5.0CC(C)c1cccc(c1O)C(C)C
CACTVS 3.341CC(C)c1cccc(C(C)C)c1O
FormulaC12 H18 O
Name2,6-BIS(1-METHYLETHYL)PHENOL;
2,6-DIISOPROPYLPHENOL;
PROPOFOL
ChEMBLCHEMBL526
DrugBankDB00818
ZINCZINC000000968303
PDB chain3f33 Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3f33 A unitary anesthetic binding site at high resolution.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S27 Y28 R59
Binding residue
(residue number reindexed from 1)		S26 Y27 R58
Annotation score1
Binding affinityMOAD: Kd=0.46mM
PDBbind-CN: -logKd/Ki=3.34,Kd=0.46mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008198 ferrous iron binding
GO:0008199 ferric iron binding
GO:0046872 metal ion binding
Biological Process
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis
GO:0006880 intracellular sequestering of iron ion
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005776 autophagosome
GO:0031410 cytoplasmic vesicle
GO:0044754 autolysosome
GO:0070288 ferritin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3f33, PDBe:3f33, PDBj:3f33
PDBsum3f33
PubMed19605349
UniProtP02791|FRIL_HORSE Ferritin light chain (Gene Name=FTL)

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